SCHEMBL4377932

SCHEMBL4377932

CC#Cc1ccc(OCCCc2c[nH]cn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.40
HRH3 Q9Y5N1 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.34
HAO1 Q9UJM8 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4391791 0.86 KCNH2 (0.36) KCNH2HRH3SMN1; SMN2MEN1ALDH1A1
SCHEMBL7991000 0.85 HRH3 (0.39) KCNH2HRH3SMN1; SMN2MEN1ALDH1A1
SCHEMBL4380956 0.84 HAO1 (0.40) KCNH2HRH3CYP3A4CYP2D6CYP2C9
SCHEMBL7987317 0.82 KCNH2 (0.39) KCNH2HRH3SMN1; SMN2MEN1ALDH1A1
SCHEMBL650642 0.82 HRH3 (0.46) HRH3ALDH1A1
SCHEMBL4380966 0.82 NQO1 (0.45) KCNH2HRH3SMN1; SMN2MEN1ALDH1A1
SCHEMBL7987297 0.82 HRH3 (0.54) KCNH2HRH3SMN1; SMN2MEN1ALDH1A1
SCHEMBL4386689 0.79 LMNA (0.45) KCNH2HRH3SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL7961327 0.79 RAB9A (0.43) KCNH2HRH3MEN1ALDH1A1KMT2A
SCHEMBL7988365 0.78 MEN1 (0.48) KCNH2HRH3SMN1; SMN2MEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US claimed
EP-0760811-B1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 MODULATORS INST NAT SANTE RECH MED (FR) 2009-11-18 EP disclosed
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US disclosed
EP-0760811-A1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H 3? (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-03-12 EP disclosed
WO-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 WO disclosed